3 papers
physics.chem-ph2026
A Graph Neural Network-Based Approach to XANES Data Analysis
Fei Zhan, Lirong Zheng, Haodong Yao +6
X-ray absorption spectroscopy (XAS) is an indispensable tool to characterize the atomic-scale three-dimensional local structure of the system, in which XANES is the most important…
physics.chem-ph2026
Universal rapid machine learning models for predicting unconvoluted and convoluted X-ray Absorption Spectra
Fei Zhan, Zhi Geng
X-ray absorption near edge structure (XANES) is an essential tool for elucidating the atomic-scale, local three-dimensional (3D) structure of given materials and molecules. The rap…
physics.comp-ph2025
A new framework for X-ray absorption spectroscopy data analysis based on machine learning: XASDAML
Xue Han, Haodong Yao, Fei Zhan +3
X-ray absorption spectroscopy (XAS) is a powerful technique to probe the electronic and structural properties of materials. With the rapid growth in both the volume and complexity…